Match SCF convergence
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 21-qedft-breit-3d.01-pxlda-hydrogen.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')